UCSF

ZINC36378063

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2009 19 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.08 2.13 -106.65 3 5 2 78 253.261 2
Lo Low (pH 4.5-6) 2.08 2.47 -217.71 4 5 3 80 254.269 2

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )